SCHEMBL6597526

SCHEMBL6597526

C[C@@H](CCCOS(C)(=O)=O)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6597532 1.00 KDM4E (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL29201741 0.82 CA1 (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL29201737 0.82 CA1 (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL5026138 0.80
SCHEMBL5026140 0.80
SCHEMBL10982965 0.79 KDM4E (0.52) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL10949282 0.79 KDM4E (0.58) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL10943473 0.77 TSHR (0.56) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL1143263 0.77 TSHR (0.56) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL10990981 0.77 TSHR (0.56) KDM4EUSP2ALDH1A1LMNAMMP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080082-B1 INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION NOVARTIS AG (CH) 2004-10-06 EP disclosed
US-6350878-B1 BASIFICATION AND IODINATION OF ALDEHYDE NOVARTIS AG (CH) 2002-02-26 US disclosed